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Chlorine in PDB 4us8: Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde

Enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde

All present enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde:
1.2.99.7;

Protein crystallography data

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde, PDB code: 4us8 was solved by H.D.Correia, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 124.04 / 1.49
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 143.229, 143.229, 162.250, 90.00, 90.00, 120.00
R / Rfree (%) 9.109 / 12.215

Other elements in 4us8:

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde also contains other interesting chemical elements:

Molybdenum (Mo) 1 atom
Magnesium (Mg) 4 atoms
Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde (pdb code 4us8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde, PDB code: 4us8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4us8

Go back to Chlorine Binding Sites List in 4us8
Chlorine binding site 1 out of 2 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl919

b:14.2
occ:1.00
O A:HOH2707 3.1 24.6 1.0
O A:HOH2345 3.2 19.8 1.0
N A:TYR892 3.2 7.5 1.0
O A:HOH2710 3.2 28.4 1.0
N A:ARG893 3.3 7.7 1.0
CB A:ARG893 3.9 8.6 1.0
CA A:TYR892 3.9 8.2 1.0
CG A:ARG893 3.9 9.3 1.0
CB A:TYR892 3.9 8.2 1.0
CA A:ILE891 4.1 8.5 1.0
CG2 A:ILE891 4.1 11.3 1.0
C A:ILE891 4.1 8.1 1.0
C A:TYR892 4.1 8.2 1.0
CA A:ARG893 4.1 7.6 1.0
O A:ARG893 4.3 8.7 1.0
CD A:LYS900 4.3 11.8 1.0
CD2 A:TYR892 4.4 9.4 1.0
O A:HOH3234 4.5 21.5 1.0
CD A:ARG893 4.6 9.6 1.0
CD1 A:ILE891 4.6 13.7 1.0
CB A:ILE891 4.7 9.6 1.0
C A:ARG893 4.7 7.4 1.0
CG A:TYR892 4.7 8.7 1.0
CG A:LYS900 4.8 11.5 1.0
O A:HOH2721 4.8 38.1 1.0
O A:ARG890 4.8 11.4 1.0

Chlorine binding site 2 out of 2 in 4us8

Go back to Chlorine Binding Sites List in 4us8
Chlorine binding site 2 out of 2 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Benzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl920

b:15.5
occ:1.00
O A:HOH2715 3.2 25.2 1.0
O A:HOH2654 3.3 23.7 1.0
N A:GLU899 3.3 10.1 1.0
CD A:PRO898 3.6 11.1 1.0
CB A:GLU899 3.7 10.4 1.0
N A:PRO898 3.8 10.0 1.0
CB A:TYR897 3.9 10.2 1.0
CB A:PRO898 4.1 11.4 1.0
CA A:GLU899 4.1 10.6 1.0
C A:PRO898 4.3 10.4 1.0
CG A:PRO898 4.3 12.5 1.0
CA A:PRO898 4.3 10.5 1.0
C A:TYR897 4.4 9.2 1.0
CA A:TYR897 4.6 9.6 1.0
CG A:TYR897 4.7 10.4 1.0
O A:HOH3164 4.7 30.8 1.0
OE1 A:GLU899 4.8 15.2 1.0
O A:HOH2671 4.9 23.4 1.0
CD1 A:TYR897 5.0 11.3 1.0

Reference:

H.D.Correia, J.Marangon, C.D.Brondino, J.J.G.Moura, M.J.Romao, P.J.Gonzalez, T.Santos-Silva. Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase From Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme- Product Interaction. J.Biol.Inorg.Chem. 2014.
ISSN: ESSN 1432-1327
PubMed: 25261288
DOI: 10.1007/S00775-014-1196-4
Page generated: Sat Dec 12 11:16:08 2020

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